2-(bromomethyl)-3-(difluoromethoxy)-6-methylpyridine

C8H8BrF2NO — CID 79169709

IUPAC2-(bromomethyl)-3-(difluoromethoxy)-6-methylpyridine
SMILESCc1ccc(OC(F)F)c(CBr)n1
InChIInChI=1S/C8H8BrF2NO/c1-5-2-3-7(13-8(10)11)6(4-9)12-5/h2-3,8H,4H2,1H3
InChIKeyOPARYTJKLHERQI-UHFFFAOYSA-N
MW252.06 g/mol
LogP2.89
Rot. Bonds3

About 2-(bromomethyl)-3-(difluoromethoxy)-6-methylpyridine

2-(bromomethyl)-3-(difluoromethoxy)-6-methylpyridine (PubChem CID 79169709) has the molecular formula C8H8BrF2NO and a molecular weight of 252.06 g/mol. Its IUPAC name is 2-(bromomethyl)-3-(difluoromethoxy)-6-methylpyridine.

Molecular Properties

Compound Name2-(bromomethyl)-3-(difluoromethoxy)-6-methylpyridine
PubChem CID79169709
Molecular FormulaC8H8BrF2NO
Molecular Weight252.06 g/mol
Exact Mass250.98
IUPAC Name2-(bromomethyl)-3-(difluoromethoxy)-6-methylpyridine
SMILESCc1ccc(OC(F)F)c(CBr)n1
InChIInChI=1S/C8H8BrF2NO/c1-5-2-3-7(13-8(10)11)6(4-9)12-5/h2-3,8H,4H2,1H3
InChIKeyOPARYTJKLHERQI-UHFFFAOYSA-N
XLogP2.89
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.06
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(bromomethyl)-3-(difluoromethoxy)-6-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methoxy-6-(trifluoromethyl)pyridine
CID 46739474
5-Methoxy-2-methylpyridine
CID 13358777
2-(Bromomethyl)-6-methoxypyridine
CID 10081550
2-Dec-1-ynyl-3-methoxy-6-methylpyridine
CID 11694568
2-Bromo-3-methoxy-6-methylpyridine
CID 10965563
2,6-Dibromo-3-methoxypyridine
CID 11334637
2-(Bromomethyl)-3-methoxy-6-methylpyridine
CID 21882855
5-Methoxy-2-(trifluoromethyl)pyridine
CID 22000196
6-Bromo-2-fluoro-3-methoxypyridine
CID 46863893
2-Ethenyl-3-methoxypyridine
CID 56972700
6-Bromo-5-methoxy-2-pyridinecarbonitrile
CID 57484709
3-Bromo-6-(difluoromethoxy)-2-methylpyridine
CID 68241615

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-(difluoromethoxy)-6-methylpyridine?
The IUPAC name of 2-(bromomethyl)-3-(difluoromethoxy)-6-methylpyridine (CID 79169709) is 2-(bromomethyl)-3-(difluoromethoxy)-6-methylpyridine.
What is the SMILES notation for 2-(bromomethyl)-3-(difluoromethoxy)-6-methylpyridine?
The canonical SMILES for 2-(bromomethyl)-3-(difluoromethoxy)-6-methylpyridine is Cc1ccc(OC(F)F)c(CBr)n1.
What is the InChIKey of 2-(bromomethyl)-3-(difluoromethoxy)-6-methylpyridine?
The InChIKey is OPARYTJKLHERQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO/c1-5-2-3-7(13-8(10)11)6(4-9)12-5/h2-3,8H,4H2,1H3.
What are the key properties of 2-(bromomethyl)-3-(difluoromethoxy)-6-methylpyridine?
2-(bromomethyl)-3-(difluoromethoxy)-6-methylpyridine has a molecular weight of 252.06 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-(difluoromethoxy)-6-methylpyridine is sourced from PubChem (CID 79169709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).